| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683096
Max Phase: Preclinical
Molecular Formula: C20H14F4N2O4
Molecular Weight: 422.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(F)cc1CO
Standard InChI: InChI=1S/C20H14F4N2O4/c21-13-2-4-16(11(7-13)10-27)30-17-8-12(20(22,23)24)1-3-15(17)19(29)26-14-5-6-25-18(28)9-14/h1-9,27H,10H2,(H2,25,26,28,29)
Standard InChI Key: HAHBFCDZJMZPDT-UHFFFAOYSA-N
Associated Targets(non-human)
Sodium channel protein type X alpha subunit 425 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 422.33 | Molecular Weight (Monoisotopic): 422.0890 | AlogP: 4.07 | #Rotatable Bonds: 5 |
| Polar Surface Area: 91.42 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.78 | CX Basic pKa: | CX LogP: 2.41 | CX LogD: 2.41 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.54 | Np Likeness Score: -1.17 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):